7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine

C17H27N7O — CID 4910734

IUPAC7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
SMILESCN1CCc2c(c(NCCCN3CCOCC3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C17H27N7O/c1-23-6-3-12-13(11-23)16(20-17-14(12)15(18)21-22-17)19-4-2-5-24-7-9-25-10-8-24/h2-11H2,1H3,(H4,18,19,20,21,22)
InChIKeyYCTKEIMHPWSEQG-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.66
Rot. Bonds5

About 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine

7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (PubChem CID 4910734) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine.

Molecular Properties

Compound Name7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
PubChem CID4910734
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
SMILESCN1CCc2c(c(NCCCN3CCOCC3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C17H27N7O/c1-23-6-3-12-13(11-23)16(20-17-14(12)15(18)21-22-17)19-4-2-5-24-7-9-25-10-8-24/h2-11H2,1H3,(H4,18,19,20,21,22)
InChIKeyYCTKEIMHPWSEQG-UHFFFAOYSA-N
XLogP0.66
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
CID 114987621
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4887357
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
3-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-1,2,4-triazole-3,5-diamine
CID 58878169
13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine
CID 176671374
11-methyl-5-methylsulfanyl-N-(2-morpholin-4-ylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 2002375
ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate
CID 14500734
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The IUPAC name of 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (CID 4910734) is 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine.
What is the SMILES notation for 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The canonical SMILES for 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine is CN1CCc2c(c(NCCCN3CCOCC3)nc3n[nH]c(N)c23)C1.
What is the InChIKey of 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The InChIKey is YCTKEIMHPWSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-23-6-3-12-13(11-23)16(20-17-14(12)15(18)21-22-17)19-4-2-5-24-7-9-25-10-8-24/h2-11H2,1H3,(H4,18,19,20,21,22).
What are the key properties of 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine has a molecular weight of 345.45 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-N-(3-morpholin-4-ylpropyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine is sourced from PubChem (CID 4910734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).